4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide

C20H17F4NO5S2 — CID 40775182

IUPAC4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccco2)cc1
InChIInChI=1S/C20H17F4NO5S2/c1-13-4-6-14(7-5-13)31(26,27)19(18-3-2-10-30-18)12-25-32(28,29)15-8-9-17(21)16(11-15)20(22,23)24/h2-11,19,25H,12H2,1H3/t19-/m1/s1
InChIKeyKCEYRFXTWIRVGG-LJQANCHMSA-N
MW491.48 g/mol
LogP4.24
Rot. Bonds7

About 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 40775182) has the molecular formula C20H17F4NO5S2 and a molecular weight of 491.48 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID40775182
Molecular FormulaC20H17F4NO5S2
Molecular Weight491.48 g/mol
Exact Mass491.05
IUPAC Name4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccco2)cc1
InChIInChI=1S/C20H17F4NO5S2/c1-13-4-6-14(7-5-13)31(26,27)19(18-3-2-10-30-18)12-25-32(28,29)15-8-9-17(21)16(11-15)20(22,23)24/h2-11,19,25H,12H2,1H3/t19-/m1/s1
InChIKeyKCEYRFXTWIRVGG-LJQANCHMSA-N
XLogP4.24
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16829630
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
CID 41193070
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 18574109
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 40775182) is 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccco2)cc1.
What is the InChIKey of 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KCEYRFXTWIRVGG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17F4NO5S2/c1-13-4-6-14(7-5-13)31(26,27)19(18-3-2-10-30-18)12-25-32(28,29)15-8-9-17(21)16(11-15)20(22,23)24/h2-11,19,25H,12H2,1H3/t19-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 40775182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).